1-(2-amino-5-bromophenyl)-2-(3-hydroxyphenyl)ethanone

C14H12BrNO2 — CID 82704146

IUPAC1-(2-amino-5-bromophenyl)-2-(3-hydroxyphenyl)ethanone
SMILESNc1ccc(Br)cc1C(=O)Cc1cccc(O)c1
InChIInChI=1S/C14H12BrNO2/c15-10-4-5-13(16)12(8-10)14(18)7-9-2-1-3-11(17)6-9/h1-6,8,17H,7,16H2
InChIKeyOUYYMJXCXLZXMQ-UHFFFAOYSA-N
MW306.16 g/mol
LogP3.16
Rot. Bonds3

About 1-(2-amino-5-bromophenyl)-2-(3-hydroxyphenyl)ethanone

1-(2-amino-5-bromophenyl)-2-(3-hydroxyphenyl)ethanone (PubChem CID 82704146) has the molecular formula C14H12BrNO2 and a molecular weight of 306.16 g/mol. Its IUPAC name is 1-(2-amino-5-bromophenyl)-2-(3-hydroxyphenyl)ethanone.

Molecular Properties

Compound Name1-(2-amino-5-bromophenyl)-2-(3-hydroxyphenyl)ethanone
PubChem CID82704146
Molecular FormulaC14H12BrNO2
Molecular Weight306.16 g/mol
Exact Mass305.01
IUPAC Name1-(2-amino-5-bromophenyl)-2-(3-hydroxyphenyl)ethanone
SMILESNc1ccc(Br)cc1C(=O)Cc1cccc(O)c1
InChIInChI=1S/C14H12BrNO2/c15-10-4-5-13(16)12(8-10)14(18)7-9-2-1-3-11(17)6-9/h1-6,8,17H,7,16H2
InChIKeyOUYYMJXCXLZXMQ-UHFFFAOYSA-N
XLogP3.16
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.16
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-(2-amino-5-bromophenyl)-2-(4-chlorophenyl)ethanone
CID 82703999
1-(3-aminonaphthalen-2-yl)-2-(3-bromophenyl)ethanone
CID 116560426
1-(2-amino-5-bromophenyl)-2-(2,6-dimethylphenyl)ethanone
CID 82703996
1-(2-amino-4-bromophenyl)-2-(3-methylphenyl)ethanone
CID 116591838
1-(2-amino-5-fluorophenyl)-2-(3-fluorophenyl)ethanone
CID 82685528
1-(5-bromo-2-methylphenyl)-2-(3-methylphenyl)ethanone
CID 65306864
1-(2-amino-5-methylphenyl)-2-(4-bromophenyl)ethanone
CID 116581383
N-(5-bromo-2-carbamothioylphenyl)-2-(3-hydroxyphenyl)acetamide
CID 107798845
5-bromo-2-fluoro-N-[(3-hydroxyphenyl)methyl]benzamide
CID 47292159
1-(2-amino-5-bromophenyl)-2-(1-methylpyrazol-4-yl)ethanone
CID 82703777
1-(3-bromo-4-hydroxyphenyl)-2-(3-hydroxyphenyl)ethanone
CID 68991930
1-(3-aminophenyl)-3-(3-hydroxyphenyl)propan-2-one
CID 116577080

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-5-bromophenyl)-2-(3-hydroxyphenyl)ethanone?
The IUPAC name of 1-(2-amino-5-bromophenyl)-2-(3-hydroxyphenyl)ethanone (CID 82704146) is 1-(2-amino-5-bromophenyl)-2-(3-hydroxyphenyl)ethanone.
What is the SMILES notation for 1-(2-amino-5-bromophenyl)-2-(3-hydroxyphenyl)ethanone?
The canonical SMILES for 1-(2-amino-5-bromophenyl)-2-(3-hydroxyphenyl)ethanone is Nc1ccc(Br)cc1C(=O)Cc1cccc(O)c1.
What is the InChIKey of 1-(2-amino-5-bromophenyl)-2-(3-hydroxyphenyl)ethanone?
The InChIKey is OUYYMJXCXLZXMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrNO2/c15-10-4-5-13(16)12(8-10)14(18)7-9-2-1-3-11(17)6-9/h1-6,8,17H,7,16H2.
What are the key properties of 1-(2-amino-5-bromophenyl)-2-(3-hydroxyphenyl)ethanone?
1-(2-amino-5-bromophenyl)-2-(3-hydroxyphenyl)ethanone has a molecular weight of 306.16 g/mol, XLogP of 3.16, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-5-bromophenyl)-2-(3-hydroxyphenyl)ethanone is sourced from PubChem (CID 82704146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).